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L-Isoleucine, N-heptafluorobutyryl-, decyl ester

View entire compound with spectra: 1 NMR

L-Isoleucine, N-heptafluorobutyryl-, decyl ester
SpectraBase Compound ID dWQ72pxpkK
InChI InChI=1S/C20H32F7NO3/c1-4-6-7-8-9-10-11-12-13-31-16(29)15(14(3)5-2)28-17(30)18(21,22)19(23,24)20(25,26)27/h14-15H,4-13H2,1-3H3,(H,28,30)
InChIKey NLXPXTFAQNQCDG-UHFFFAOYSA-N
Mol Weight 467.5 g/mol
Molecular Formula C20H32F7NO3
Exact Mass 467.227041 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EwecFpZzHov
Name L-Isoleucine, N-heptafluorobutyryl-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 467.227041032 u
Formula C20H32F7NO3
InChI InChI=1S/C20H32F7NO3/c1-4-6-7-8-9-10-11-12-13-31-16(29)15(14(3)5-2)28-17(30)18(21,22)19(23,24)20(25,26)27/h14-15H,4-13H2,1-3H3,(H,28,30)
InChIKey NLXPXTFAQNQCDG-UHFFFAOYSA-N
Molecular Weight 467.469 g/mol
SMILES CCCCCCCCCCOC(C(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)C(CC)C)=O